⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Benzene SCHEMBL28181151 | 0.85 | CA1 (0.43) | — | |
| Methylsulfanylmethane SCHEMBL27732001 | 0.82 | — | — | |
| Cyanate SCHEMBL4201867 | 0.76 | — | — | |
| Cyanate SCHEMBL536200 | 0.76 | — | — | |
| Cyanate SCHEMBL28411394 | 0.76 | — | — | |
| Cyanate SCHEMBL6829237 | 0.76 | — | — | |
| Acetonitrile SCHEMBL28538553 | 0.73 | — | — | |
| Cyanate SCHEMBL8717839 | 0.71 | — | — | |
| Cyanate SCHEMBL19371516 | 0.71 | — | — | |
| Cyanate SCHEMBL21550222 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106032576-B | Restrainer composition and its application and the method that pickling is carried out to equipment | 中国石油化工股份有限公司 | 2018-11-02 | — | — | CN | disclosed |
| CN-106032576-A | Composition for pickling inhibitor and application thereof as well as method for carrying out pickling for equipment | 中国石油化工股份有限公司 | 2016-10-19 | — | — | CN | disclosed |